CID 117930

2-((4-phenylpiperazinyl)methyl)quinoline dihydrochloride

Structural Information

Molecular Formula
C20H21N3
SMILES
C1CN(CCN1CC2=NC3=CC=CC=C3C=C2)C4=CC=CC=C4
InChI
InChI=1S/C20H21N3/c1-2-7-19(8-3-1)23-14-12-22(13-15-23)16-18-11-10-17-6-4-5-9-20(17)21-18/h1-11H,12-16H2
InChIKey
AYYGDHAILGUSIQ-UHFFFAOYSA-N
Compound name
2-[(4-phenylpiperazin-1-yl)methyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

303.17355 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.180826 174.6
[M+Na]+ 326.162768 179.9
[M-H]- 302.166274 179.4
[M+NH4]+ 321.207373 185.2
[M+K]+ 342.136708 172.7
[M+H-H2O]+ 286.170810 161.9
[M+HCOO]- 348.171751 189.2
[M+CH3COO]- 362.187401 183.1
[M+Na-2H]- 324.148216 180.2
[M]+ 303.17300142 169.2
[M]- 303.17409858 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe